Information card for entry 1563293

Structure parameters

• Formula: C52 H24 Cd3 Cl8 N8 O12
• Calculated formula: C52 H24 Cd3 Cl8 N8 O12
• SMILES: [Cd]12345Oc6[n]7[Cd]89([O]=C(O8)c8cc(c(cc8C(=O)O[Cd](Oc(n7)c7cc(c(cc67)Cl)Cl)Oc6[n]([Cd]78([O]=C(O7)c7cc(c(cc7C(=[O][Cd]7%10([O]=C(O7)c7cc(c(cc7C(=O)[O-])Cl)Cl)(n7nc([O-])c%11cc(c(cc%11c7O3)Cl)Cl)[n]3ccccc3c3[n]%10cccc3)O2)Cl)Cl)[n]2ccccc2c2[n]8cccc2)nc(O1)c1cc(c(cc61)Cl)Cl)Cl)Cl)([n]1ccccc1c1[n]9cccc1)[O]=C(O5)c1cc(c(cc1C1=[O][Cd]2(O1)([n]1nc(O4)c3cc(c(cc3c1[O-])Cl)Cl)[n]1ccccc1c1[n]2cccc1)Cl)Cl
• Title of publication: New 4,5-dichlorophthalhydrazidate-bridged chained coordination polymers
• Authors of publication: Jin, Juan; Wu, Di; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Wang, Yu-Chang; Xu, Ji-Qing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 3
• Pages of publication: 667 - 674
• a: 7.9126 ± 0.0003 Å
• b: 25.7233 ± 0.0012 Å
• c: 13.2669 ± 0.0006 Å
• α: 90°
• β: 93.416 ± 0.003°
• γ: 90°
• Cell volume: 2695.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No